| Name |
Tubeimoside I |
| Formula |
C63H98O29 |
| Mw |
1318.61937717 |
| CAS RN |
102040-03-9 |
| C_ID |
C00003557
, 
|
| InChIKey |
MCPFEAJYKIXPQF-VEAAGKOQNA-N |
| InChICode |
InChI=1S/C63H98O29/c1-26-46-47(88-51-43(76)38(71)30(67)22-81-51)45(78)53(84-26)90-48-39(72)31(68)23-82-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(66)50(60(6,25-65)34(59)11-12-62(35,8)61(27,7)14-16-63)91-55-49(42(75)40(73)32(21-64)86-55)89-52-44(77)41(74)33(24-83-52)85-36(69)19-58(4,80)20-37(70)87-46/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/t26-,28-,29-,30+,31-,32-,33-,34+,35+,38+,39-,40+,41-,42-,43-,44-,45+,46-,47-,48+,49-,50-,51+,52-,53-,54-,55+,58+,59+,60-,61+,62+,63-/m0/s1 |
| SMILES |
[C@H]1([C@H]2[C@@]([C@H]3[C@@](C1)([C@@H]1[C@@](CC3)([C@]3(C(=CC1)[C@H]1[C@@](CC3)(CCC(C1)(C)C)C(=O)O[C@H]1[C@H](O[C@H]3[C@@H]([C@@H]([C@@H](OC(=O)C[C@](CC(=O)O[C@H]4CO[C@@H](O[C@H]5[C@H]([C@@H]([C@@H](O[C@@H]5O2)CO)O)O)[C@H]([C@H]4O)O)(C)O)[C@@H](O3)C)O[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O)O)[C@H]([C@H](CO1)O)O)C)C)C)(C)CO)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cucurbitaceae | Bolbostemma paniculatum  | Ref. |
|
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